1-[3-(difluoromethoxy)-5-(difluoromethyl)-2-iodophenyl]ethanone

C10H7F4IO2 — CID 171031583

IUPAC1-[3-(difluoromethoxy)-5-(difluoromethyl)-2-iodophenyl]ethanone
SMILESCC(=O)c1cc(C(F)F)cc(OC(F)F)c1I
InChIInChI=1S/C10H7F4IO2/c1-4(16)6-2-5(9(11)12)3-7(8(6)15)17-10(13)14/h2-3,9-10H,1H3
InChIKeyUETPLIPODYDQGL-UHFFFAOYSA-N
MW362.06 g/mol
LogP4.03
Rot. Bonds4

About 1-[3-(difluoromethoxy)-5-(difluoromethyl)-2-iodophenyl]ethanone

1-[3-(difluoromethoxy)-5-(difluoromethyl)-2-iodophenyl]ethanone (PubChem CID 171031583) has the molecular formula C10H7F4IO2 and a molecular weight of 362.06 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)-5-(difluoromethyl)-2-iodophenyl]ethanone.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)-5-(difluoromethyl)-2-iodophenyl]ethanone
PubChem CID171031583
Molecular FormulaC10H7F4IO2
Molecular Weight362.06 g/mol
Exact Mass361.94
IUPAC Name1-[3-(difluoromethoxy)-5-(difluoromethyl)-2-iodophenyl]ethanone
SMILESCC(=O)c1cc(C(F)F)cc(OC(F)F)c1I
InChIInChI=1S/C10H7F4IO2/c1-4(16)6-2-5(9(11)12)3-7(8(6)15)17-10(13)14/h2-3,9-10H,1H3
InChIKeyUETPLIPODYDQGL-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.06
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[5-(difluoromethyl)-2-iodo-3-methoxyphenyl]ethanone
CID 131590701
3-acetyl-5-(difluoromethoxy)-4-iodobenzaldehyde
CID 171032052
1-[5-bromo-2-(difluoromethoxy)-4-iodophenyl]ethanone
CID 131597786
1-[5-amino-2-(difluoromethoxy)-4-iodophenyl]ethanone
CID 131281119
1-[3-(difluoromethoxy)-4-iodo-5-nitrophenyl]ethanone
CID 171032183
1-[5-(difluoromethoxy)-3-ethyl-2-iodophenyl]ethanone
CID 171031722
1-[4-(difluoromethoxy)-2-(difluoromethyl)-5-ethylphenyl]ethanone
CID 171031547
methyl 2-cyano-3-(difluoromethoxy)-5-(difluoromethyl)benzoate
CID 134646545
3-acetyl-5-(difluoromethoxy)-2-iodobenzaldehyde
CID 171032061
1-[5-(difluoromethyl)-2-ethoxy-3-iodophenyl]ethanone
CID 171032479
1-[3-(difluoromethoxy)-2-(difluoromethyl)-5-fluorophenyl]ethanone
CID 171031562
1-[5-chloro-3-(difluoromethyl)-2-iodophenyl]ethanone
CID 171009758

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)-5-(difluoromethyl)-2-iodophenyl]ethanone?
The IUPAC name of 1-[3-(difluoromethoxy)-5-(difluoromethyl)-2-iodophenyl]ethanone (CID 171031583) is 1-[3-(difluoromethoxy)-5-(difluoromethyl)-2-iodophenyl]ethanone.
What is the SMILES notation for 1-[3-(difluoromethoxy)-5-(difluoromethyl)-2-iodophenyl]ethanone?
The canonical SMILES for 1-[3-(difluoromethoxy)-5-(difluoromethyl)-2-iodophenyl]ethanone is CC(=O)c1cc(C(F)F)cc(OC(F)F)c1I.
What is the InChIKey of 1-[3-(difluoromethoxy)-5-(difluoromethyl)-2-iodophenyl]ethanone?
The InChIKey is UETPLIPODYDQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4IO2/c1-4(16)6-2-5(9(11)12)3-7(8(6)15)17-10(13)14/h2-3,9-10H,1H3.
What are the key properties of 1-[3-(difluoromethoxy)-5-(difluoromethyl)-2-iodophenyl]ethanone?
1-[3-(difluoromethoxy)-5-(difluoromethyl)-2-iodophenyl]ethanone has a molecular weight of 362.06 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)-5-(difluoromethyl)-2-iodophenyl]ethanone is sourced from PubChem (CID 171031583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).